2-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoylamino]-3-methyl-pentanoic acid

Systemtic Name: 2-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoylamino]-3-methyl-pentanoic acid Openeye Name: 2-[[2-(4-bromo-2-methyl-phenyl)sulfanylacetyl]amino]-3-methyl-pentanoic acid CAS Name: 2-[[2-[(4-bromo-2-methylphenyl)thio]-1-oxoethyl]amino]-3-methylpentanoic acid IUPAC Name: 2-[[2-(4-bromo-2-methylphenyl)sulfanylacetyl]amino]-3-methylpentanoic acid Traditional Name: 2-[[2-[(4-bromo-2-methyl-phenyl)thio]acetyl]amino]-3-methyl-valeric acid Formula: C15H20BrNO3S MolecularWeight: 374.2932

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)CSC1=C(C=C(C=C1)Br)C

Isomeric SMILES

CCC(C)C(C(=O)O)NC(=O)CSC1=C(C=C(C=C1)Br)C

InChI

InChI=1S/C15H20BrNO3S/c1-4-9(2)14(15(19)20)17-13(18)8-21-12-6-5-11(16)7-10(12)3/h5-7,9,14H,4,8H2,1-3H3,(H,17,18)(H,19,20)